NP-MRD: Showing NP-Card for 2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate (NP0163375)

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Record Information

Version

2.0

Created at

2022-09-02 21:59:21 UTC

Updated at

2022-09-02 21:59:21 UTC

NP-MRD ID

NP0163375

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate

Description

Verproside belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. 2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate is found in Paederota lutea, Veronica anagallis, Veronica anagallis-aquatica, Veronica austriaca, Veronica besseya, Veronica cymbalaria, Veronica filiformis, Veronica fuhsii, Veronica kellereri, Veronica lavaudiana, Veronica liwanensis, Veronica longifolia, Veronica officinalis, Veronica persica, Veronica pulvinaris and Veronica turrilliana. Verproside is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004191520102D          

 35 39  0  0  0  0            999 V2000
   -2.2647   -2.4406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6689   -1.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8768   -2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2810   -1.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5111   -1.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1070   -1.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9107   -0.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1186   -0.1581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0776    0.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5182    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103    0.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0118    1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0727    2.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6477    2.3457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    3.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7697    3.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    4.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    5.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6346    5.9953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2557    4.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9987    5.0669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1947    3.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6415    0.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1467    0.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3293    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3547   -0.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5066    0.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4995   -2.7928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3078   -3.9340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805   -2.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2764   -3.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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 34 35  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004191520102D          

 35 39  0  0  0  0            999 V2000
   -2.2647   -2.4406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6689   -1.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0163375

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1OC(OC2OC=CC3C(OC(=O)C4=CC=C(O)C(O)=C4)C4OC4(CO)C23)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2

> <INCHI_KEY>
DBUOUVZMYWYRRI-UHFFFAOYSA-N

> <FORMULA>
C22H26O13

> <MOLECULAR_WEIGHT>
498.437

> <EXACT_MASS>
498.137340897

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
47.1903725970195

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate

> <ALOGPS_LOGP>
-0.46

> <JCHEM_LOGP>
-1.5436344043333325

> <ALOGPS_LOGS>
-1.85

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.88229004148916

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.555943535708302

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810847601929344

> <JCHEM_POLAR_SURFACE_AREA>
208.12999999999997

> <JCHEM_REFRACTIVITY>
110.97530000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.01e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  O   UNK     0      -4.227  -4.556   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -3.115  -3.491   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.637  -3.921   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.524  -2.856   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.954  -3.287   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.066  -2.222   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.700  -0.726   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.221  -0.295   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.145   1.201   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.967   2.266   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.446   1.835   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.755   2.646   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.869   4.182   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.596   5.048   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       1.209   4.379   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.710   6.584   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.437   7.450   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.551   8.986   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.937   9.655   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.051  11.191   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.211   8.789   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.598   9.458   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       4.097   7.253   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.931   1.651   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.874   0.433   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       4.348   0.226   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.395  -1.314   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       3.086  -2.124   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       2.812   0.339   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.320  -4.783   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       2.799  -5.213   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       0.208  -5.848   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       0.575  -7.343   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -1.270  -5.417   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -2.383  -6.482   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   34                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   30                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   29                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   29                                                  
CONECT   12   11   13   24                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   23                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   16                                                       
CONECT   24   12   25   26                                                  
CONECT   25   24   26                                                       
CONECT   26   25   24   27   29                                             
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26    7   11                                                  
CONECT   30    5   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32    3   35                                                  
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₂₆O₁₃

Average Mass

498.4370 Da

Monoisotopic Mass

498.13734 Da

IUPAC Name

2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate

Traditional Name

2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate

CAS Registry Number

Not Available

SMILES

OCC1OC(OC2OC=CC3C(OC(=O)C4=CC=C(O)C(O)=C4)C4OC4(CO)C23)C(O)C(O)C1O

InChI Identifier

InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2

InChI Key

DBUOUVZMYWYRRI-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Paederota lutea	LOTUS Database	35616633
Veronica anagallis	LOTUS Database	35616633
Veronica anagallis-aquatica	LOTUS Database	35616633
Veronica austriaca	LOTUS Database	35616633
Veronica besseya	LOTUS Database	35616633
Veronica cymbalaria	LOTUS Database	35616633
Veronica filiformis	LOTUS Database	35616633
Veronica fuhsii	LOTUS Database	35616633
Veronica kellereri	LOTUS Database	35616633
Veronica lavaudiana	LOTUS Database	35616633
Veronica liwanensis	LOTUS Database	35616633
Veronica longifolia	LOTUS Database	35616633
Veronica officinalis	LOTUS Database	35616633
Veronica persica	LOTUS Database	35616633
Veronica pulvinaris	LOTUS Database	35616633
Veronica turrilliana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
P-hydroxybenzoic acid alkyl ester
M-hydroxybenzoic acid ester
P-hydroxybenzoic acid ester
O-glycosyl compound
Dihydroxybenzoic acid
Benzoate ester
Benzoic acid or derivatives
Catechol
Benzoyl
1-hydroxy-2-unsubstituted benzenoid
Phenol
1-hydroxy-4-unsubstituted benzenoid
Monosaccharide
Monocyclic benzene moiety
Oxane
Benzenoid
Carboxylic acid ester
Secondary alcohol
Ether
Oxirane
Dialkyl ether
Acetal
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Polyol
Monocarboxylic acid or derivatives
Primary alcohol
Alcohol
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-0.46	ALOGPS
logP	-1.5	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	8.56	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	208.13 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	110.98 m³·mol⁻¹	ChemAxon
Polarizability	47.19 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

495172

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate (NP0163375)

MOL for NP0163375 (2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate)

3D MOL for NP0163375 (2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate)

3D SDF for NP0163375 (2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate)

3D-SDF for NP0163375 (2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate)

PDB for NP0163375 (2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate)

3D PDB for NP0163375 (2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate)

SMILES for NP0163375 (2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate)

INCHI for NP0163375 (2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate)

Structure for NP0163375 (2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate)

3D Structure for NP0163375 (2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3,4-dihydroxybenzoate)